N-methyl-2-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]ethanamine

C15H20N4 — CID 104548409

IUPACN-methyl-2-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]ethanamine
SMILESCNCCc1ccccc1-c1nnc2n1CCCC2
InChIInChI=1S/C15H20N4/c1-16-10-9-12-6-2-3-7-13(12)15-18-17-14-8-4-5-11-19(14)15/h2-3,6-7,16H,4-5,8-11H2,1H3
InChIKeyDPRSYVLWHSAIPX-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.04
Rot. Bonds4

About N-methyl-2-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]ethanamine

N-methyl-2-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]ethanamine (PubChem CID 104548409) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-2-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]ethanamine
PubChem CID104548409
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-methyl-2-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]ethanamine
SMILESCNCCc1ccccc1-c1nnc2n1CCCC2
InChIInChI=1S/C15H20N4/c1-16-10-9-12-6-2-3-7-13(12)15-18-17-14-8-4-5-11-19(14)15/h2-3,6-7,16H,4-5,8-11H2,1H3
InChIKeyDPRSYVLWHSAIPX-UHFFFAOYSA-N
XLogP2.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]ethanamine with MolForge

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Related Compounds

2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-methylaniline
CID 43142774
3-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 140603851
4-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline
CID 63652461
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)guanidine;hydroiodide
CID 111361416
4-(methylamino)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide;dihydrochloride
CID 119883329
2-(methylamino)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide
CID 120704440
3-(2-fluoro-5-methylphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 118330647
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)guanidine
CID 111339027
3-(1-ethyl-3-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 138379423
3-(1-methylpyrrol-2-yl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 139021513
N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 31753429
[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl] N-cyclohexylcarbamate
CID 2319013

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]ethanamine?
The IUPAC name of N-methyl-2-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]ethanamine (CID 104548409) is N-methyl-2-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]ethanamine is CNCCc1ccccc1-c1nnc2n1CCCC2.
What is the InChIKey of N-methyl-2-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]ethanamine?
The InChIKey is DPRSYVLWHSAIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-16-10-9-12-6-2-3-7-13(12)15-18-17-14-8-4-5-11-19(14)15/h2-3,6-7,16H,4-5,8-11H2,1H3.
What are the key properties of N-methyl-2-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]ethanamine?
N-methyl-2-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]ethanamine is sourced from PubChem (CID 104548409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).